Electronic and optical properties of graphene- and graphane ... - MIFP

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Electronic and optical properties of graphene- and graphane ... - MIFP

Electronic and optical properties of graphene- and graphane ... - MIFP

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c<br />

Theoretical tools: ab-initio methods<br />

v<br />

hn<br />

DFT GW<br />

c<br />

v<br />

MBPT<br />

c<br />

EXC<br />

hn W<br />

wcv<br />

v<br />

BSE<br />

1) 2) 3)

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c Theoretical tools: ab-initio methods v hn DFT GW c v MBPT c EXC hn W wcv v BSE 1) 2) 3)

Quasiparticle equation � � iGW G: single particle Green’s function �1 W � � V W: screened Coulomb interaction Lars Hedin 1965

Page 1 and 2: Electronic and optical properties o
Page 3: c Theoretical tools: ab-initio meth
Page 7 and 8: hn GW BSE Bethe Salpeter equation c
Page 9 and 10: Graphene and graphane-like 2D SiC l
Page 11 and 12: Quasiparticle band structures SiC S
Page 13 and 14: SiC:H band edge density of states T
Page 15 and 16: SiC:H - Electrostatic potential Two
Page 17 and 18: Optical properties (RPA) SiC SiC:H
Page 19 and 20: 2D SiC: first exciton in k-space Ho
Page 21 and 22: 2D SiC:H: first exciton in k-space
Page 23 and 24: Bound excitons in 2D hydrogenated C
Page 25 and 26: With the two limits: 2D Screened Co
Page 27 and 28: Log e-h attraction 2D Screened Coul
Page 29: Conclusions and outlook • 2D-base